8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H33N3 — CID 55106813

IUPAC8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(CC(C)C)CN(C)C
InChIInChI=1S/C16H33N3/c1-12(2)8-16(11-18(4)5)19-14-6-7-15(19)10-13(9-14)17-3/h12-17H,6-11H2,1-5H3
InChIKeyLCLFADMOIWEUJM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106813) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106813
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(CC(C)C)CN(C)C
InChIInChI=1S/C16H33N3/c1-12(2)8-16(11-18(4)5)19-14-6-7-15(19)10-13(9-14)17-3/h12-17H,6-11H2,1-5H3
InChIKeyLCLFADMOIWEUJM-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-cyclopropylethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738959
N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114130093
N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738654
N,N,4-trimethyl-2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]pentan-1-amine
CID 62512940
9-hex-5-yn-3-yl-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113478213
3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide
CID 114176601
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1,3-diamine
CID 79462761
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739170

Frequently Asked Questions

What is the IUPAC name of 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55106813) is 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C(CC(C)C)CN(C)C.
What is the InChIKey of 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LCLFADMOIWEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-12(2)8-16(11-18(4)5)19-14-6-7-15(19)10-13(9-14)17-3/h12-17H,6-11H2,1-5H3.
What are the key properties of 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).